Information card for entry 4074160

Structure parameters

• Formula: C24 H54 Li2 O6 Zn2
• Calculated formula: C24 H54 Li2 O6 Zn2
• SMILES: [ZnH]12[O]3(C(C)(C)C)[Li]4([O]5(C(C)(C)C)[ZnH]3[O]1([Li]5([O]24C(C)(C)C)[O]1CCCC1)C(C)(C)C)[O]1CCCC1
• Title of publication: Convenient Access to Homo- and Heterobimetallic Alkoxo Hydridozinc Clusters of Formula [(HZnOtBu)4-n(LiOtBu)n] (n= 0, 1, 2, 3)
• Authors of publication: Marciniak, Wojciech; Merz, Klaus; Moreno, Mariluna; Driess, Matthias
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 21
• Pages of publication: 4931
• a: 11.0383 ± 0.0003 Å
• b: 16.4529 ± 0.0005 Å
• c: 17.3925 ± 0.0006 Å
• α: 90°
• β: 92.934 ± 0.001°
• γ: 90°
• Cell volume: 3154.55 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No